1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

C19H15NO2 — CID 14957731

IUPAC1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESC#Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H15NO2/c1-4-13-8-9-14-15(11-13)16(12-19(2,3)18(14)22)20-10-6-5-7-17(20)21/h1,5-12H,2-3H3
InChIKeyDBBGJHRGRFUVLN-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.94
Rot. Bonds1

About 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one

1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (PubChem CID 14957731) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
PubChem CID14957731
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
SMILESC#Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O
InChIInChI=1S/C19H15NO2/c1-4-13-8-9-14-15(11-13)16(12-19(2,3)18(14)22)20-10-6-5-7-17(20)21/h1,5-12H,2-3H3
InChIKeyDBBGJHRGRFUVLN-UHFFFAOYSA-N
XLogP2.94
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

UR 8225
CID 198778
[1-(4-Methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 2741902
1-[[3,4-Dihydro-4-oxo-3,3-dimethyl-7-(trifluoromethyl)naphthalen]-1-yl]pyridin-2(1H)-one
CID 14957725
1-[3,3-Dimethyl-4-oxo-7-(2-trimethylsilylethynyl)naphthalen-1-yl]pyridin-2-one
CID 14957730
Mesityl[4-(1-piperidinylcarbonyl)phenyl]methanone
CID 767034
1-(7-Acetyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
CID 14957734
6,6-Dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)naphthalene-2-carbonitrile
CID 14957744
1-(7-Fluoro-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one
CID 14957722
1,2-Dihydro-4-(1,2-dihydro-2-oxo-1-pyridyl)-2,2-dimethyl-6-ethylnaphthalen-1-one
CID 14957732
6,6-Diethyl-5-oxo-8-(2-oxo-1-pyridinyl)naphthalene-2-carbonitrile
CID 14957796
N,N-diethyl-4-[oxo-(2,4,6-trimethylphenyl)methyl]benzamide
CID 869554
N,N-diisopropyl-4-(mesitylcarbonyl)benzamide
CID 1377935

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one (CID 14957731) is 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is C#Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O.
What is the InChIKey of 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
The InChIKey is DBBGJHRGRFUVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-4-13-8-9-14-15(11-13)16(12-19(2,3)18(14)22)20-10-6-5-7-17(20)21/h1,5-12H,2-3H3.
What are the key properties of 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one?
1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethynyl-3,3-dimethyl-4-oxonaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 14957731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).